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	hartrees
Energy at 0K	-194.271372
Energy at 298.15K	-194.280341
HF Energy	-194.271372
Nuclear repulsion energy	133.711131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3149	3013	26.51
2	A'	3146	3010	32.50
3	A'	3069	2936	16.60
4	A'	2991	2862	85.94
5	A'	2971	2843	39.99
6	A'	1560	1492	1.03
7	A'	1533	1467	4.54
8	A'	1525	1459	7.44
9	A'	1500	1435	0.06
10	A'	1448	1385	40.32
11	A'	1412	1351	5.71
12	A'	1252	1198	59.76
13	A'	1192	1141	126.66
14	A'	1130	1081	6.01
15	A'	1054	1008	16.88
16	A'	885	847	9.60
17	A'	469	449	0.57
18	A'	288	276	2.89
19	A"	3153	3017	27.30
20	A"	3036	2904	67.83
21	A"	3000	2870	81.29
22	A"	1511	1446	8.17
23	A"	1509	1444	3.10
24	A"	1311	1254	1.36
25	A"	1212	1160	9.67
26	A"	1178	1127	0.27
27	A"	831	795	0.59
28	A"	269	258	2.24
29	A"	216	207	1.11
30	A"	118	113	2.91

Atom	x (Å)	y (Å)	z (Å)
C1	1.316	1.234	0.000
O2	0.013	0.710	0.000
C3	0.000	-0.700	0.000
C4	-1.441	-1.170	0.000
H5	1.229	2.324	0.000
H6	1.884	0.923	0.893
H7	1.884	0.923	-0.893
H8	0.533	-1.087	-0.887
H9	0.533	-1.087	0.887
H10	-1.489	-2.264	0.000
H11	-1.965	-0.799	0.887
H12	-1.965	-0.799	-0.887

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4036	2.3389	3.6572	1.0935	1.1030	1.1030	2.6045	2.6045	4.4831	3.9593	3.9593
O2	1.4036		1.4104	2.3768	2.0203	2.0837	2.0837	2.0703	2.0703	3.3320	2.6410	2.6410
C3	2.3389	1.4104		1.5156	3.2642	2.6420	2.6420	1.1048	1.1048	2.1592	2.1577	2.1577
C4	3.6572	2.3768	1.5156		4.3970	4.0288	4.0288	2.1659	2.1659	1.0954	1.0947	1.0947
H5	1.0935	2.0203	3.2642	4.3970		1.7858	1.7858	3.5920	3.5920	5.3324	4.5535	4.5535
H6	1.1030	2.0837	2.6420	4.0288	1.7858		1.7851	3.0049	2.4213	4.7252	4.2160	4.5761
H7	1.1030	2.0837	2.6420	4.0288	1.7858	1.7851		2.4213	3.0049	4.7252	4.5761	4.2160
H8	2.6045	2.0703	1.1048	2.1659	3.5920	3.0049	2.4213		1.7740	2.5022	3.0771	2.5143
H9	2.6045	2.0703	1.1048	2.1659	3.5920	2.4213	3.0049	1.7740		2.5022	2.5143	3.0771
H10	4.4831	3.3320	2.1592	1.0954	5.3324	4.7252	4.7252	2.5022	2.5022		1.7778	1.7778
H11	3.9593	2.6410	2.1577	1.0947	4.5535	4.2160	4.5761	3.0771	2.5143	1.7778		1.7737
H12	3.9593	2.6410	2.1577	1.0947	4.5535	4.5761	4.2160	2.5143	3.0771	1.7778	1.7737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.443	O2	C1	H5	107.363
O2	C1	H6	111.904	O2	C1	H7	111.904
O2	C3	C4	108.591	O2	C3	H8	110.203
O2	C3	H9	110.203	C3	C4	H10	110.543
C3	C4	H11	110.467	C3	C4	H12	110.467
C4	C3	H8	110.515	C4	C3	H9	110.515
H5	C1	H6	108.782	H5	C1	H7	108.782
H6	C1	H7	108.029	H8	C3	H9	106.812
H10	C4	H11	108.538	H10	C4	H12	108.538
H11	C4	H12	108.218

All results from a given calculation for CH₃OC₂H₅ (Ethane, methoxy-)

using model chemistry: B3PW91/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.251
2	O	-0.453
3	C	-0.053
4	C	-0.522
5	H	0.179
6	H	0.147
7	H	0.147
8	H	0.139
9	H	0.139
10	H	0.165
11	H	0.182
12	H	0.182

	x	y	z	Total
	0.928	-0.690	0.000	1.157
CHELPG
AIM
ESP

	x	y	z
x	5.746	0.699	0.000
y	0.699	5.872	0.000
z	0.000	0.000	5.057

<r²>	102.822
(<r²>)^1/2	10.140

All results from a given calculation for CH3OC2H5 (Ethane, methoxy-)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for CH₃OC₂H₅ (Ethane, methoxy-)